Hi, Step one: Try it again with the nucleic.top/nucleic.par files, since those are the current ones (and based on parallhdg.dna, so they're not too different).
Step two: Take a look at your script. Are you sure you have the NOE term on? Is the force constant reasonable? On Feb 20, 2007, at 1:48 PM, yu269821 at yorku.ca wrote: > Hello, > > I am calculating RNA structures using the 2.16.0 version of XPLOR-NIH. > I am using parallhdg.dna as my parameter file. I am having trouble > constraining a guanine residue to a syn conformation. Normally one > intranuclear restraint (H8 to H1' constrained to 2.15 0.35 0.65) > should > be sufficient, however this restraint keeps being violated even if > that is the only restraint used for that residue (I also have no > hydrogen > bonding, dihedral angles planarity restraints for that residue) in > about half of my structures. Can this be a problem with my parameter > file may be something else? > > Thank you in advance, > Alex Beribisky. > _______________________________________________ > Xplor-nih mailing list > Xplor-nih at nmr.cit.nih.gov > http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
